Information card for entry 2243598

Structure parameters

• Common name: potassium isobutyrate monohydrate
• Chemical name: Poly[μ-aqua-bis(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i),<i>O</i>':<i>O</i>')dipotassium]
• Formula: C8 H16 K2 O5
• Calculated formula: C8 H16 K2 O5
• Title of publication: Crystal structure of poly[μ-aqua-bis(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')dipotassium]
• Authors of publication: Fábry, Jan; Samolová, Erika
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1669 - 1674
• a: 11.919 ± 0.0005 Å
• b: 4.5454 ± 0.0002 Å
• c: 24.3172 ± 0.0009 Å
• α: 90°
• β: 97.517 ± 0.001°
• γ: 90°
• Cell volume: 1306.1 ± 0.09 ų
• Cell temperature: 240 K
• Ambient diffraction temperature: 240 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for significantly intense reflections: 2.52
• Goodness-of-fit parameter for all reflections included in the refinement: 2.48
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes